N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide

C17H26N2O — CID 110413858

IUPACN-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCCCCC(=O)NCC1CCN(c2cccc(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-3-4-8-17(20)18-12-15-9-10-19(13-15)16-7-5-6-14(2)11-16/h5-7,11,15H,3-4,8-10,12-13H2,1-2H3,(H,18,20)
InChIKeyXTERJWGWKWGTOL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide

N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide (PubChem CID 110413858) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
PubChem CID110413858
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCCCCC(=O)NCC1CCN(c2cccc(C)c2)C1
InChIInChI=1S/C17H26N2O/c1-3-4-8-17(20)18-12-15-9-10-19(13-15)16-7-5-6-14(2)11-16/h5-7,11,15H,3-4,8-10,12-13H2,1-2H3,(H,18,20)
InChIKeyXTERJWGWKWGTOL-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 125158880
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
(3S)-3-(carbamoylamino)-3-(3-methylphenyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 35218612
4-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 110640326
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide?
The IUPAC name of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide (CID 110413858) is N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide.
What is the SMILES notation for N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide?
The canonical SMILES for N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide is CCCCC(=O)NCC1CCN(c2cccc(C)c2)C1.
What is the InChIKey of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide?
The InChIKey is XTERJWGWKWGTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-8-17(20)18-12-15-9-10-19(13-15)16-7-5-6-14(2)11-16/h5-7,11,15H,3-4,8-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide?
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide has a molecular weight of 274.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide is sourced from PubChem (CID 110413858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).